[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone

C16H13NOS2 — CID 63524211

IUPAC[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCCc1ccc(-c2csc(C(=O)c3ccccc3)n2)s1
InChIInChI=1S/C16H13NOS2/c1-2-12-8-9-14(20-12)13-10-19-16(17-13)15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyXBKTUIPAUJJDKI-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.66
Rot. Bonds4

About [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone

[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone (PubChem CID 63524211) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
PubChem CID63524211
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC Name[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCCc1ccc(-c2csc(C(=O)c3ccccc3)n2)s1
InChIInChI=1S/C16H13NOS2/c1-2-12-8-9-14(20-12)13-10-19-16(17-13)15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyXBKTUIPAUJJDKI-UHFFFAOYSA-N
XLogP4.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The IUPAC name of [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone (CID 63524211) is [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The canonical SMILES for [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone is CCc1ccc(-c2csc(C(=O)c3ccccc3)n2)s1.
What is the InChIKey of [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The InChIKey is XBKTUIPAUJJDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS2/c1-2-12-8-9-14(20-12)13-10-19-16(17-13)15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone?
[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone has a molecular weight of 299.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone is sourced from PubChem (CID 63524211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).